Information card for entry 7029499

Structure parameters

• Formula: C38 H48 Gd2 N6 O16 S2
• Calculated formula: C38 H48 Gd2 N6 O16 S2
• SMILES: c1(cccnc1S)C1N[N]2=Cc3ccccc3O[Gd]3452([O]=1)([O]=C(O3)C)([O]=C([O]5[Gd]1235([N](=Cc6ccccc6O2)NC(c2cccnc2S)=[O]1)([O]=C(O3)C)([O]=C([O]54)C)[OH]C)C)[OH]C.OC.OC
• Title of publication: Acetato-bridged dinuclear lanthanide complexes with single molecule magnet behaviour for the Dy2 species.
• Authors of publication: Zhang, Haixia; Lin, Shuang-Yan; Xue, Shufang; Wang, Chao; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 16
• Pages of publication: 6262 - 6268
• a: 10.198 ± 0.011 Å
• b: 10.642 ± 0.011 Å
• c: 11.568 ± 0.012 Å
• α: 69.6 ± 0.02°
• β: 85.69 ± 0.02°
• γ: 81.48 ± 0.02°
• Cell volume: 1163 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1575
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No